ergo
ShellSpecStruct Struct Reference

#include <basisinfo.h>

Public Attributes

ergo_real coeffList [MAX_NO_OF_CONTR_GAUSSIANS]
 
ergo_real exponentList [MAX_NO_OF_CONTR_GAUSSIANS]
 
ergo_real sizeList [MAX_NO_OF_CONTR_GAUSSIANS]
 
ergo_real padding
 
ergo_real centerCoords [3]
 
int noOfContr
 
int shellType
 
int shell_ID
 
int noOfBasisFuncs
 
int startIndexInMatrix
 
int dummy
 

Member Data Documentation

◆ centerCoords

◆ coeffList

◆ dummy

int ShellSpecStruct::dummy

◆ exponentList

◆ noOfBasisFuncs

◆ noOfContr

◆ padding

ergo_real ShellSpecStruct::padding

◆ shell_ID

int ShellSpecStruct::shell_ID

◆ shellType

◆ sizeList

◆ startIndexInMatrix


The documentation for this struct was generated from the following file: